8-methyl-2-phenoxynonanoyl chloride

C16H23ClO2 — CID 154350649

IUPAC8-methyl-2-phenoxynonanoyl chloride
SMILESCC(C)CCCCCC(Oc1ccccc1)C(=O)Cl
InChIInChI=1S/C16H23ClO2/c1-13(2)9-5-3-8-12-15(16(17)18)19-14-10-6-4-7-11-14/h4,6-7,10-11,13,15H,3,5,8-9,12H2,1-2H3
InChIKeyURBLBMQBSXXXOU-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.81
Rot. Bonds9

About 8-methyl-2-phenoxynonanoyl chloride

8-methyl-2-phenoxynonanoyl chloride (PubChem CID 154350649) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 8-methyl-2-phenoxynonanoyl chloride.

Molecular Properties

Compound Name8-methyl-2-phenoxynonanoyl chloride
PubChem CID154350649
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name8-methyl-2-phenoxynonanoyl chloride
SMILESCC(C)CCCCCC(Oc1ccccc1)C(=O)Cl
InChIInChI=1S/C16H23ClO2/c1-13(2)9-5-3-8-12-15(16(17)18)19-14-10-6-4-7-11-14/h4,6-7,10-11,13,15H,3,5,8-9,12H2,1-2H3
InChIKeyURBLBMQBSXXXOU-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,9-bis(2-methoxyphenoxy)decanedioyl dichloride
CID 102377700
ethyl 2-phenoxydecanoate
CID 101000092
2-phenoxyhexadecanethioic S-acid
CID 142789333
potassium 2-phenoxyundecanoate
CID 70350230
sodium 2-phenoxyoctadecanoate
CID 141463853
(2R)-2-phenoxyhexanoic acid
CID 71401043
2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]dodecanoyl chloride
CID 4111218
1,3-dioxopropan-2-yl 2-phenoxydecanoate
CID 141224781
18-methyl-1-phenylnonadecan-1-one
CID 141198244
2-phenoxy-N-phenylhexanamide
CID 70624716
14-methylpentadecyl benzoate
CID 141181298
1-(4-benzylpiperazin-1-yl)-2-phenoxyoctan-1-one
CID 21472215

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-phenoxynonanoyl chloride?
The IUPAC name of 8-methyl-2-phenoxynonanoyl chloride (CID 154350649) is 8-methyl-2-phenoxynonanoyl chloride.
What is the SMILES notation for 8-methyl-2-phenoxynonanoyl chloride?
The canonical SMILES for 8-methyl-2-phenoxynonanoyl chloride is CC(C)CCCCCC(Oc1ccccc1)C(=O)Cl.
What is the InChIKey of 8-methyl-2-phenoxynonanoyl chloride?
The InChIKey is URBLBMQBSXXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-13(2)9-5-3-8-12-15(16(17)18)19-14-10-6-4-7-11-14/h4,6-7,10-11,13,15H,3,5,8-9,12H2,1-2H3.
What are the key properties of 8-methyl-2-phenoxynonanoyl chloride?
8-methyl-2-phenoxynonanoyl chloride has a molecular weight of 282.81 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenoxynonanoyl chloride is sourced from PubChem (CID 154350649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).